Geometry & MOs

Info

ID:	349449
PubChem CID:	127275236
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	5.77
IP(EA), eV:	-8.85(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)CN2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations